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197450-39-8 | 2-PYRROLIDINONE, 1-(4-BROMO-3-METHYLPHENYL)-
CAS No: 197450-39-8 Catalog No: AG002ATN MDL No:MFCD09942748
Product Description
Catalog Number:
AG002ATN
Chemical Name:
2-PYRROLIDINONE, 1-(4-BROMO-3-METHYLPHENYL)-
CAS Number:
197450-39-8
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD09942748
IUPAC Name:
1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H12BrNO/c1-8-7-9(4-5-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChI Key:
UHABBHGGYQEDDZ-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(c(c1)C)Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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